ethyl 1-[2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[2-(4-morpholin-4-iumylmethyl)-5-phenyl-4-thieno[2,3-d]pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C25H31N4O3S+ MolecularWeight: 467.60364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H30N4O3S/c1-2-32-25(30)19-8-10-29(11-9-19)23-22-20(18-6-4-3-5-7-18)17-33-24(22)27-21(26-23)16-28-12-14-31-15-13-28/h3-7,17,19H,2,8-16H2,1H3/p+1